1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine

C15H17NO3S — CID 43807088

IUPAC1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1Oc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H17NO3S/c1-11(16)14-8-3-4-9-15(14)19-12-6-5-7-13(10-12)20(2,17)18/h3-11H,16H2,1-2H3
InChIKeyXFGJGRXQHHWRSK-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.90
Rot. Bonds4

About 1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine

1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine (PubChem CID 43807088) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine
PubChem CID43807088
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1Oc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H17NO3S/c1-11(16)14-8-3-4-9-15(14)19-12-6-5-7-13(10-12)20(2,17)18/h3-11H,16H2,1-2H3
InChIKeyXFGJGRXQHHWRSK-UHFFFAOYSA-N
XLogP2.90
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-fluoro-2-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807090
1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807091
[2-(3-methylsulfonylphenoxy)phenyl]methanamine
CID 43806812
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
2-(3-methylsulfonylphenoxy)benzenecarbothioamide
CID 43806992
4-fluoro-2-(3-methylsulfonylphenoxy)aniline
CID 62375952
1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 43589925
2-chloro-6-(3-methylsulfonylphenoxy)benzaldehyde
CID 43807103
(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine
CID 103959322
5-chloro-2-(3-methylsulfonylphenoxy)aniline
CID 43806849
(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169557
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine (CID 43807088) is 1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine is CC(N)c1ccccc1Oc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine?
The InChIKey is XFGJGRXQHHWRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11(16)14-8-3-4-9-15(14)19-12-6-5-7-13(10-12)20(2,17)18/h3-11H,16H2,1-2H3.
What are the key properties of 1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine?
1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine has a molecular weight of 291.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43807088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).